androst-4-ene-3,17-dione (CHEBI:16422)

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ChEBI Name	androst-4-ene-3,17-dione

ChEBI ID	CHEBI:16422

Definition	A 3-oxo Δ⁴-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:2709, CHEBI:40930, CHEBI:11964, CHEBI:20322, CHEBI:13830

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Formula

C19H26O2

Net Charge

Average Mass

286.40850

Monoisotopic Mass

286.19328

InChI

InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

InChIKey

AEMFNILZOJDQLW-QAGGRKNESA-N

SMILES

[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Daphnia magna (NCBI:txid35525)	See: Changes in the Metabolic Elimination Profile of Testosterone Following Exposure of the Crustacean Daphnia magna to TributyltinGerald A. LeBlanc and James B. McLachlanEcotoxicology and Environmental Safety 45, 296-303 (2000)
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	androgen A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors. Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	androst-4-ene-3,17-dione (CHEBI:16422) has role Daphnia magna metabolite (CHEBI:83056) androst-4-ene-3,17-dione (CHEBI:16422) has role androgen (CHEBI:50113) androst-4-ene-3,17-dione (CHEBI:16422) has role human metabolite (CHEBI:77746) androst-4-ene-3,17-dione (CHEBI:16422) has role mouse metabolite (CHEBI:75771) androst-4-ene-3,17-dione (CHEBI:16422) is a 17-oxo steroid (CHEBI:19168) androst-4-ene-3,17-dione (CHEBI:16422) is a 3-oxo-Δ⁴ steroid (CHEBI:47909) androst-4-ene-3,17-dione (CHEBI:16422) is a androstanoid (CHEBI:50402)

Incoming	1α-hydroxyandrost-4-ene-3,17-dione (CHEBI:133778) has functional parent androst-4-ene-3,17-dione (CHEBI:16422) 3,17-dioxoandrost-4-en-19-al (CHEBI:799) has functional parent androst-4-ene-3,17-dione (CHEBI:16422) 6β-hydroxyandrost-4-ene-3,17-dione (CHEBI:87571) has functional parent androst-4-ene-3,17-dione (CHEBI:16422) 9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)

IUPAC Name

androst-4-ene-3,17-dione

Last Modified

25 October 2018